Hydrothermal Synthesis and Crystal Structure of a Cadmium（Ⅱ） Polymer with a Two-dimensional Network Structure： [ Cd（pzdc）（2,2＇-bipy） ]n·nH2O

A metal-organic coordination compound formulated as [Cd（pzdc）（2,2＇-bipy）]n·nH2O 1 （Hzpzdc = pyrazine-2,3-dicarboxylic acid, 2,2＇-bipy = 2,2＇-bipyridine） has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, TG fluorescence spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P2 1/c with a = 10.8081（13）, b = 14.4328（17）, c = 10.2530（12） A, β = 98.504（2）°, V= 1581.8（3） ]A3, C16H14CdN4O5, Mr= 454.71, Dc = 1.909 g/cm^3, μ（MoKa） = 1.420 mm^-1, F（000） = 904, Z = 4, the final R = 0.0230 and wR = 0.0554 for 2901 observed reflections （I 〉 2σ（I））. It exhibits an interesting two-dimensional network structure and shows yellow photoluminescent property at room temperature.     

碳、氮和氧族元素取代对2,1,3-苯并噻二唑衍生物的电子、光谱、电荷传输性质影响的理论研究

采用量子化学方法设计并研究了一系列CH₂、NH、O和Se取代的2,1,3-苯并噻二唑衍生物的电子性质、光谱性质和电荷传输性质．采用的研究方法是从头算Hartree-Fock和密度泛函方法．研究结果表明,中心芳环的S原子分别被CH₂、NH、O和Se取代后,母体分子的电子性质、光谱性质以及电荷传输性质得到了很好的调节．根据得到的理论研究结果,在2,1,3-苯并噻二唑衍生物基础上进行结构修饰得到的一系列分子可以作为有机发光二极管中的有机发光材料.     

Hydrothermal Synthesis and Crystal Structure of a New One-dimensional Nickel(Ⅱ) Complex with 2-Pyridinecarboxyic Acid and 4,4′-Bipyridine Ligands

A new metal-organic coordination polymer [Ni[(2-pya)2(4,4′-bipy)]n·6nH2O (2-pya = 2-pyridinecarboxylic acid, 4,4′-bipy = 4,4′-pyridine) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in tetragonal, space group I41/a with a = b = 22.5642(19), c = 10.7118(18), V = 5453.8(11) 3, C22H28N4NiO10, Mr = 567.19, Dc = 1.382 g/cm3, μ(MoKα) = 0.769 mm-1, F(000) = 2368, Z = 8, the final R = 0.0572 and wR = 0.1254 for 1401 observed reflections (I > 2σ(I)). It exhibits a one-dimensional chain-like structure by mixed ligands of 2-pyridinedicarboxylic acid and 4,4′-pyridine.     

Hydrothermal Synthesis and Crystal Structure of a New One-dimensional Cobalt（Ⅱ） Complex with 2-Pyridinecarboxyic Acid and 4,4＇-Bipyridine Ligands

A new metal-organic coordination polymer [Co（2-pya）2（4,4＇-bipy）]2n-[（4,4＇- bipy）0.5· H2O]2n （2-pya = 2-pyridinecarboxylic acid, 4,4＇-bipy = 4,4＇-bipyridine） 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in tetragonal, space group I41/a with a = b = 22.719（2）, c = 10.710（2）/k, V = 5527.8（14） A3, C54H46N10Co2O10, Mr= 1112.87, Dc = 1.337 g/cm3,μ（MoKa） = 0.665 mm-1, F（000） = 2296, Z = 4, the final R = 0.0633 and wR = 0.1096 for 1261 observed reflections （I 〉 2σ（I））. It exhibits a one-dimensional chain-like structure constructed by mixed ligands of 2-pyridinedicarboxylic acid and 4,4＇-bipyridine.     

凝胶电解质的研究进展

本文评述了凝胶电解质－一种新型功能高人子材料的研究进展,讨论了电解质的特性,类型,关于其结构性能的研究方法,以及其在电双层电容器和锂离子二次电池方面的应用研究状况,并简要探讨了发展前景。     

Numerical investigation of effect of rolling manipulation of traditional Chinese medical massage on blood flow

The hemodynamic mechanism of rolling manipulation (RM) of traditional Chinese medical massage (TCMM) is investigated. An axisymmetrical nonlinear model and an arbitrary Lagrangian-Eulerian finite element method (ALE-FEM) with rezoning algorithm were introduced to study the viscous flow through an axisymmetrical rigid tube with axially moving stenosis to simulate the rolling manipulation. Flow rate and wall shear stress were obtained by solving complete Navier-Stokes equations numerically. The numerical results show that the stenosis moving frequency, namely the frequency of rolling manipulation, has great effect on the disturbance of flow and the wall shear stress. The stenosis coefficient, which characterizes the severity of the stenosis, another adjustable parameter in rolling manipulation, also shows the significant effect on flow rate and wall shear stress. These numerical results may provide some data that can be taken into consideration when massage is used in clinic.     

大型液体火箭姿控与跷振大回路耦合动力学建模与分析

大型液体火箭结构模态的空间化分布特征导致结构振动、姿态运动和推进系统液路脉动存在相互耦合,进而影响传统姿控回路的稳定性. 针对大型液体火箭, 充分考虑姿态控制系统对箭体姿态动力学和弹性振动的影响, 以及箭体结构弹性振动与推进系统的耦合作用(跷振(POGO)), 建立了姿控与跷振大回路耦合模型. 该模型包含了推进系统、结构系统与姿控系统之间的耦合因素, 可进行姿控-结构-推进大回路耦合机理研究. 该模型具有非奇异的优点, 可以直接用于频域分析和时域仿真. 基于该模型研究了我国某型号液体捆绑火箭推进系统参数——泵增益和蓄压器能量值对姿态运动与结构振动稳定性的影响. 研究得出, 泵增益和蓄压器能量值的变化不仅导致了结构振动的不稳定, 而且也导致了姿态运动的发散. 因此, 对于大型液体捆绑火箭, 推进系统与姿控系统之间存在不可忽略的耦合作用, 在设计姿控系统时, 有必要考虑推进系统对姿控系统稳定性的影响.      

网状钼酸铋的可见光催化活性

采用无助剂、无模板的水热法成功合成网状Bi₂MoO₆. pH值对这一形貌的形成起重要作用. 所制备的网状Bi₂MoO₆样品表现出优异的可见光催化活性,其光催化活性比固相法合成的块状Bi₂MoO₆样品高得多.     

圆盘状Bi2WO6-BiPO4异质结的水热合成及光催化性能 (cited: 1)

采用水热法制备Bi₂WO₆-BiPO₄异质结光催化剂．利用模拟太阳光照射下的罗丹明B降解实验评价了Bi₂WO₆-BiPO₄复合物的光催化性能．结果表明,Bi₂WO₆-BiPO₄光催化活性比Bi₂WO₆和BiPO₄高得多．当Bi₂WO₆与BiPO₄的摩尔比为1:1时复合光催化剂对罗丹明B的降解率最高．Bi₂WO₆-BiPO₄催化活性增强主要归结为两者之间形成了有效的异质结结构,其内建电场能够促进光生载流子的分离．同时,Bi₂WO₆的加入增强了其对可见光的吸收．研究表明O₂· ^-和h⁺在光催化降解过程中是主要的活性物种